1.0 2010-04-08 22:12:25 UTC 2019-11-26 03:13:11 UTC FDB016404 Suillusin Isolated from the mushroom Suillus granulatus (granulated bolete). Suillusin is found in mushrooms. C19H14O8 370.3097 370.068867424 methyl 5-(3,4-dihydroxyphenyl)-4,11-dihydroxy-3-oxo-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),4,8,10-tetraene-6-carboxylate methyl 5-(3,4-dihydroxyphenyl)-4,11-dihydroxy-3-oxo-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),4,8,10-tetraene-6-carboxylate COC(=O)C12OC3=CC=C(O)C=C3C1C(=O)C(O)=C2C1=CC=C(O)C(O)=C1 InChI=1S/C19H14O8/c1-26-18(25)19-14(8-2-4-11(21)12(22)6-8)16(23)17(24)15(19)10-7-9(20)3-5-13(10)27-19/h2-7,15,20-23H,1H3 MWJUVQKVZFIANK-UHFFFAOYSA-N belongs to the class of organic compounds known as coumarans. Coumarans are compounds containing the coumaran skeleton, which consists of a benzene ring fused to a 2,3-dihydrofuran ring. Coumarans Organic compounds Organoheterocyclic compounds Coumarans Aromatic heteropolycyclic compounds 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Benzene and substituted derivatives Catechols Enols Hydrocarbon derivatives Ketones Methyl esters Monocarboxylic acids and derivatives Organic oxides Oxacyclic compounds 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Alkyl aryl ether Aromatic heteropolycyclic compound Benzenoid Carbonyl group Carboxylic acid derivative Carboxylic acid ester Catechol Coumaran Enol Ether Hydrocarbon derivative Ketone Methyl ester Monocarboxylic acid or derivatives Monocyclic benzene moiety Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Phenol logp 2.22 ALOGPS logs -3.27 ALOGPS solubility 1.97e-01 g/l ALOGPS logp 1.94 ChemAxon pka_strongest_acidic 7.45 ChemAxon pka_strongest_basic -4.4 ChemAxon iupac methyl 5-(3,4-dihydroxyphenyl)-4,11-dihydroxy-3-oxo-7-oxatricyclo[6.4.0.0²,⁶]dodeca-1(12),4,8,10-tetraene-6-carboxylate ChemAxon average_mass 370.3097 ChemAxon mono_mass 370.068867424 ChemAxon smiles COC(=O)C12OC3=CC=C(O)C=C3C1C(=O)C(O)=C2C1=CC=C(O)C(O)=C1 ChemAxon formula C19H14O8 ChemAxon inchi InChI=1S/C19H14O8/c1-26-18(25)19-14(8-2-4-11(21)12(22)6-8)16(23)17(24)15(19)10-7-9(20)3-5-13(10)27-19/h2-7,15,20-23H,1H3 ChemAxon inchikey MWJUVQKVZFIANK-UHFFFAOYSA-N ChemAxon polar_surface_area 133.52 ChemAxon refractivity 92.15 ChemAxon polarizability 35.37 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 17918 Specdb::CMs 45350 Specdb::CMs 164376 Specdb::MsMs 95892 Specdb::MsMs 95893 Specdb::MsMs 95894 Specdb::MsMs 160260 Specdb::MsMs 160261 Specdb::MsMs 160262 Specdb::MsMs 2404817 Specdb::MsMs 2404818 Specdb::MsMs 2404819 Specdb::MsMs 2530185 Specdb::MsMs 2530186 Specdb::MsMs 2530187 HMDB37371 #<Reference:0x000055ce3229d230> Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322